ethyl [(2,2-dimethoxyethyl)(methyl)carbamoyl]formate

• ChemBase ID: 118334
• Molecular Formular: C9H17NO5
• Molecular Mass: 219.23498
• Monoisotopic Mass: 219.11067265
• SMILES: C(=O)(N(CC(OC)OC)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)C(=O)N(CC(OC)OC)C
• InChI: InChI=1S/C9H17NO5/c1-5-15-9(12)8(11)10(2)6-7(13-3)14-4/h7H,5-6H2,1-4H3
• InChIKey: XRNKCUVGWPHSNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl [(2,2-dimethoxyethyl)(methyl)carbamoyl]formate
• IUPAC Traditional name: ethyl [(2,2-dimethoxyethyl)(methyl)carbamoyl]formate
• Synonyms: ethyl [(2,2-dimethoxyethyl)(methyl)amino](oxo)acetate

Database IDs

• MDL Number: MFCD02974340
• PubChem SID: 162098589
• PubChem CID: 3413525

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.34462035
• LogD (pH = 7.4): 0.34462035
• Log P: 0.34462035
• Molar Refractivity: 52.3965 cm^3
• Polarizability: 20.80512 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.242

Product Information

• Purity: 95+%